3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C95H100F6N22O9S5 — CID 167677340

About 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167677340) has the molecular formula C95H100F6N22O9S5 and a molecular weight of 1968.31 g/mol. Its IUPAC name is 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167677340
• Molecular Formula: C95H100F6N22O9S5
• Molecular Weight: 1968.31 g/mol
• Exact Mass: 1966.66
• IUPAC Name: 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(ccc(N5CC6CNCC(C5)O6)c4F)C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)c(F)c(F)c4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)c(N)c2s1
• InChI: InChI=1S/C25H25FN6O3S.C25H28FN5O2S.C23H24F2N6O2S.C22H23F2N5O2S2/c1-12-2-3-16-21(28)23(36-25(16)30-12)24(33)31-13-4-17-19(26)5-20(18(6-27)22(17)34-11-13)32-9-14-7-29-8-15(10-32)35-14;1-13-2-5-19-22(27)23(34-25(19)29-13)24(32)30-15-4-6-18-14(8-15)3-7-20(21(18)26)31-11-16-9-28-10-17(12-31)33-16;1-10-6-27-20-19(26)21(34-23(20)28-10)22(32)30-13-4-14-16(33-9-13)5-15(18(25)17(14)24)31-7-11-2-3-12(8-31)29-11;1-9-26-22-20(32-9)17(25)19(33-22)21(30)28-12-4-13-14(23)5-15(16(24)18(13)31-8-12)29-6-10-2-3-11(7-29)27-10/h2-3,5,13-15,29H,4,7-11,28H2,1H3,(H,31,33);2-3,5,7,15-17,28H,4,6,8-12,27H2,1H3,(H,30,32);5-6,11-13,29H,2-4,7-9,26H2,1H3,(H,30,32);5,10-12,27H,2-4,6-8,25H2,1H3,(H,28,30)/t13-,14?,15?;15-,16?,17?;11?,12?,13-;10?,11?,12-/m1011/s1
• InChIKey: UZXMYSPSNJMZEM-XPXMJKDCSA-N
• XLogP: 10.63
• TPSA: 415.95 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.31
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167677340) is 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(ccc(N5CC6CNCC(C5)O6)c4F)C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(C#N)c(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1.Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)c(F)c(F)c4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4c(F)c(N5CC6CCC(C5)N6)cc(F)c4C3)c(N)c2s1.

What is the InChIKey of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is UZXMYSPSNJMZEM-XPXMJKDCSA-N. The full InChI is InChI=1S/C25H25FN6O3S.C25H28FN5O2S.C23H24F2N6O2S.C22H23F2N5O2S2/c1-12-2-3-16-21(28)23(36-25(16)30-12)24(33)31-13-4-17-19(26)5-20(18(6-27)22(17)34-11-13)32-9-14-7-29-8-15(10-32)35-14;1-13-2-5-19-22(27)23(34-25(19)29-13)24(32)30-15-4-6-18-14(8-15)3-7-20(21(18)26)31-11-16-9-28-10-17(12-31)33-16;1-10-6-27-20-19(26)21(34-23(20)28-10)22(32)30-13-4-14-16(33-9-13)5-15(18(25)17(14)24)31-7-11-2-3-12(8-31)29-11;1-9-26-22-20(32-9)17(25)19(33-22)21(30)28-12-4-13-14(23)5-15(16(24)18(13)31-8-12)29-6-10-2-3-11(7-29)27-10/h2-3,5,13-15,29H,4,7-11,28H2,1H3,(H,31,33);2-3,5,7,15-17,28H,4,6,8-12,27H2,1H3,(H,30,32);5-6,11-13,29H,2-4,7-9,26H2,1H3,(H,30,32);5,10-12,27H,2-4,6-8,25H2,1H3,(H,28,30)/t13-,14?,15?;15-,16?,17?;11?,12?,13-;10?,11?,12-/m1011/s1.

What are the key properties of 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1968.31 g/mol, XLogP of 10.63, 12 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-8-cyano-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;7-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(2S)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167677340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).